2-(3-propoxypropyl)oxirane

C8H16O2 — CID 22934432

IUPAC2-(3-propoxypropyl)oxirane
SMILESCCCOCCCC1CO1
InChIInChI=1S/C8H16O2/c1-2-5-9-6-3-4-8-7-10-8/h8H,2-7H2,1H3
InChIKeyLFCRVBCMYJWQID-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds6

About 2-(3-propoxypropyl)oxirane

2-(3-propoxypropyl)oxirane (PubChem CID 22934432) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(3-propoxypropyl)oxirane.

Molecular Properties

Compound Name2-(3-propoxypropyl)oxirane
PubChem CID22934432
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(3-propoxypropyl)oxirane
SMILESCCCOCCCC1CO1
InChIInChI=1S/C8H16O2/c1-2-5-9-6-3-4-8-7-10-8/h8H,2-7H2,1H3
InChIKeyLFCRVBCMYJWQID-UHFFFAOYSA-N
XLogP1.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(3-propoxypropyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxypropyl)oxirane?
The IUPAC name of 2-(3-propoxypropyl)oxirane (CID 22934432) is 2-(3-propoxypropyl)oxirane.
What is the SMILES notation for 2-(3-propoxypropyl)oxirane?
The canonical SMILES for 2-(3-propoxypropyl)oxirane is CCCOCCCC1CO1.
What is the InChIKey of 2-(3-propoxypropyl)oxirane?
The InChIKey is LFCRVBCMYJWQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-5-9-6-3-4-8-7-10-8/h8H,2-7H2,1H3.
What are the key properties of 2-(3-propoxypropyl)oxirane?
2-(3-propoxypropyl)oxirane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxypropyl)oxirane is sourced from PubChem (CID 22934432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).